UCSF

ZINC06134356

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 29 No

Popular Name: 4-[(3-ethoxyphenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(4-pyridyl)pyrrolidine-2,3-dione 4-[(3-ethoxyphenyl)-hydroxy-meth…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 6.36 -62.17 0 7 -1 92 395.435 9 ↓
Mid Mid (pH 6-8) 2.20 -0.91 -19.13 1 7 0 88 396.443 8 ↓
Lo Low (pH 4.5-6) 1.17 -0.89 -27.96 0 7 0 85 396.443 9 ↓
Lo Low (pH 4.5-6) 2.20 -0.45 -49.48 2 7 1 90 397.451 8 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )